Basic information
- CAS
152253-68-4- Standard SMILES
CC(C)=CCc1cc(O)c(O)c(CC=C(C)C)c1C1Oc2c(CC=C(C)C)c(O)cc(O)c2C(=O)[C@@H]1O- InChIKey
DDKWTXSGQOKXGP-MBCWZBCWSA-N- Molecular formula
- C30H36O7
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.24610348
Overview
Petalostemumol has been reported in Dalea purpurea with data available.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl)-2,3-dihydro-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-, (2R,3R)-
- IUPAC
- (3R)-2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Names & synonyms
Petalostemumol152253-68-44H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl)-2,3-dihydro-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-, (2R,3R)-4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-2,6-bis(3-methyl-2-butenyl)phenyl]-2,3-dihydro-3,5,7-trihydroxy-8-(3-methyl-2-butenyl)-, (2R,3R)-DTXSID00934457(3R)-2-[3,4-Dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one(3R)-2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one(3R)-2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chroman-4-one2-[3,4-Dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
152253-68-4- PubChem CID
- 460682
- DTXSID
DTXSID00934457- ChEMBL
CHEMBL515359
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 880
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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